SCHEMBL29556804

SCHEMBL29556804

O=C(O)C1CC2CCN2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.44
NOTUM Q6P988 6/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
TSHR P16473 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10804405 0.87 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBGAAHTR2A
SCHEMBL3731529 0.87 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBGAAHTR2A
SCHEMBL10804427 0.87 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBGAAHTR2A
SCHEMBL4053759 0.87 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBGAAHTR2A
Hydrochloric Acid SCHEMBL9864395 0.85 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2POLBGAAHTR2A
Hydrochloric Acid SCHEMBL9864399 0.85 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2POLBGAAHTR2A
Hydrochloric Acid SCHEMBL9864402 0.85 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2POLBGAAHTR2A
Hydrochloric Acid SCHEMBL9864264 0.85 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2POLBGAAHTR2A
SCHEMBL8610174 0.80 CHRM1 (0.44) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL3393754 0.78

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114531850-A Pharmaceutical composition and kit characterized by containing novel penicillin derivative or salt thereof and 1 or more compounds selected from beta-lactamase inhibitory compound and antibacterial compound or salt thereof 富士胶片株式会社 2022-05-24 CN claimed
US-20250353841-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HUFF SARAH ELIZABETH (US) 2025-11-20 US disclosed
EP-4087583-A1 ARGINASE INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2022-11-16 EP disclosed
CN-114531850-A Pharmaceutical composition and kit characterized by containing novel penicillin derivative or salt thereof and 1 or more compounds selected from beta-lactamase inhibitory compound and antibacterial compound or salt thereof 富士胶片株式会社 2022-05-24 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250353841-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, ATXN2 ALDH1A1 2917/4885SMN1; SMN2 18/4885NOTUM 4187/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.